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85803-63-0 | 2-(4-Methylpiperazin-1-yl)benzonitrile
CAS No: 85803-63-0 Catalog No: AG003EX8 MDL No:MFCD09757581
Product Description
Catalog Number:
AG003EX8
Chemical Name:
2-(4-Methylpiperazin-1-yl)benzonitrile
CAS Number:
85803-63-0
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
MDL Number:
MFCD09757581
IUPAC Name:
2-(4-methylpiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-9H2,1H3
InChI Key:
RTVRHYSRKFDTFA-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCN(CC1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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